CID 45789727

4-chloro-5h,6h,7h,8h-pyrido[3,4-d]pyrimidine hydrobromide

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1CNCC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H8ClN3/c8-7-5-1-2-9-3-6(5)10-4-11-7/h4,9H,1-3H2
InChIKey
NJOMQJJBIYKCLG-UHFFFAOYSA-N
Compound name
4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

169.04068 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.047956 132.3
[M+Na]+ 192.029898 141.3
[M-H]- 168.033404 130.7
[M+NH4]+ 187.074503 149.8
[M+K]+ 208.003838 136.4
[M+H-H2O]+ 152.037940 124.9
[M+HCOO]- 214.038881 144.3
[M+CH3COO]- 228.054531 144.1
[M+Na-2H]- 190.015346 141.1
[M]+ 169.04013142 129.3
[M]- 169.04122858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe